2-[(3,4-Dihydroxy-4-methoxyoxolan-2-yl)oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
| Internal ID | c5bf97d6-c18c-430f-b13b-d55de875ee52 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[(3,4-dihydroxy-4-methoxyoxolan-2-yl)oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(CO3)(O)OC)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(CO3)(O)OC)O)O)O)O |
| InChI | InChI=1S/C21H30O11/c1-4-5-11-6-7-12(13(8-11)27-2)31-19-17(24)16(23)15(22)14(32-19)9-29-20-18(25)21(26,28-3)10-30-20/h4,6-8,14-20,22-26H,1,5,9-10H2,2-3H3 |
| InChI Key | LDBBMLXDYNZJSP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O11 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of 2-[(3,4-Dihydroxy-4-methoxyoxolan-2-yl)oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/c054e940-8627-11ee-8460-fd3e54338412.jpg "2D Structure of 2-[(3,4-Dihydroxy-4-methoxyoxolan-2-yl)oxymethyl]-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.78% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.50% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.27% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.46% | 92.94% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.44% | 85.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.75% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.70% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.30% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.26% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.22% | 92.62% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.72% | 89.44% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.95% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.56% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.25% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.72% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.53% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.87% | 90.24% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.07% | 97.50% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.82% | 89.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.63% | 89.62% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 80.49% | 99.09% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 80.13% | 97.88% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.08% | 96.90% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Sapindus mukorossi |
| Tinospora sinensis |
| PubChem | 162883467 |
| LOTUS | LTS0249234 |
| wikiData | Q105150136 |